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	hartrees
Energy at 0K	-665.151008
Energy at 298.15K	-665.152678
HF Energy	-665.151008
Nuclear repulsion energy	154.325059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1815	1815	253.75
2	A'	903	903	1.18
3	A'	734	734	101.87
4	A'	573	573	32.61
5	A'	267	267	0.09
6	A"	407	407	1.44

Atom	x (Å)	y (Å)
Cl1	-1.226	-0.302
O2	0.000	0.917
N3	1.301	0.472
O4	1.468	-0.688

	Cl1	O2	N3	O4
Cl1		1.7291	2.6430	2.7212
O2	1.7291		1.3748	2.1743
N3	2.6430	1.3748		1.1714
O4	2.7212	2.1743	1.1714

Number	Element	Mulliken
1	Cl	0.175
2	O	-0.329
3	N	0.363
4	O	-0.209

All results from a given calculation for ClONO (chlorine nitrite)

using model chemistry: wB97X-D/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.242	-0.206	0.000	0.318
CHELPG
AIM
ESP

	x	y	z
x	6.077	0.367	0.000
y	0.367	3.437	0.000
z	0.000	0.000	1.898

<r²>	85.698
(<r²>)^1/2	9.257